CID 101237

(2-aminophenyl)phosphonic acid

Structural Information

Molecular Formula
C6H8NO3P
SMILES
C1=CC=C(C(=C1)N)P(=O)(O)O
InChI
InChI=1S/C6H8NO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
BMYBKYQDGKGCSU-UHFFFAOYSA-N
Compound name
(2-aminophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

496
Patents

173.02419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03147 135.3
[M+Na]+ 196.01341 143.1
[M-H]- 172.01691 135.2
[M+NH4]+ 191.05801 154.3
[M+K]+ 211.98735 141.0
[M+H-H2O]+ 156.02145 128.2
[M+HCOO]- 218.02239 162.5
[M+CH3COO]- 232.03804 175.1
[M+Na-2H]- 193.99886 139.4
[M]+ 173.02364 133.3
[M]- 173.02474 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe